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102-09-0

Basic Information
CAS No.: 102-09-0
Name: Diphenyl carbonate
Article Data: 303
Cas Database
Molecular Structure:
Molecular Structure of 102-09-0 (Diphenyl carbonate)
Formula: C13H10O3
Molecular Weight: 214.221
Synonyms: Diphenylcarbonate;NSC 37087;Phenyl carbonate;Phenyl carbonate ((PhO)2CO);Carbonic acid, diphenyl ester;
EINECS: 203-005-8
Density: 1,3 g/cm3
Melting Point: 79-82 °C(lit.)
Boiling Point: 304 °C at 760 mmHg
Flash Point: 119.4 °C
Solubility: Insoluble in water
Appearance: white solid
Hazard Symbols: HarmfulXn
Risk Codes: 22-20
Safety: 22-24/25
Transport Information: N/A
PSA: 35.53000
LogP: 3.26440
Synthetic route
67-66-3

chloroform

108-95-2

phenol

102-09-0

bis(phenyl) carbonate

Conditions
ConditionsYield
With oxygen; sodium hydrogencarbonate; triethylamine In water for 1.5h; Irradiation;99%
With pyridine; oxygen at 20℃; for 1h; Time; Reagent/catalyst; Irradiation;99%
3115-68-2

tetrabutyl phosphonium bromide

1885-14-9

phenyl chloroformate

616-38-6

carbonic acid dimethyl ester

102-09-0

bis(phenyl) carbonate

Conditions
ConditionsYield
98%
13509-27-8

methyl phenyl carbonate

3115-68-2

tetrabutyl phosphonium bromide

1885-14-9

phenyl chloroformate

102-09-0

bis(phenyl) carbonate

Conditions
ConditionsYield
98%
122350-19-0

3,3'-carbonylbis<5-phenyl-1,3,4-oxadiazole-2(3H)-thione>

108-95-2

phenol

A

102-09-0

bis(phenyl) carbonate

B

3004-42-0

5-phenyl-1,3,4-oxadiazole-2(3H)-thione

Conditions
ConditionsYield
With pyridine In various solvent(s) for 192h; Ambient temperature;A 97%
B n/a
4-chloro-4'-fluorobutyrophenone-2,2-dimethylpropylene ketal

4-chloro-4'-fluorobutyrophenone-2,2-dimethylpropylene ketal

585-34-2

3-tert-butylphenyol

A

102-09-0

bis(phenyl) carbonate

B

4-Fluoro-α-[3-(2-methyl-2-propyl)phenoxy]propylbenzenemethanol

Conditions
ConditionsYield
With hydrogenchloride In methanol; N,N-dimethyl-formamideA 97%
B n/a
616-38-6

carbonic acid dimethyl ester

108-95-2

phenol

A

102-09-0

bis(phenyl) carbonate

B

67-56-1

methanol

Conditions
ConditionsYield
lead (II) phenoxide at 210 - 235℃; under 150.015 - 6750.68 Torr; for 500 - 6000h; Product distribution / selectivity; Heating / reflux;A 97%
B n/a
76-84-6

triphenylmethyl alcohol

102-09-0

bis(phenyl) carbonate

Conditions
ConditionsYield
With trifluoroacetyl peroxide; trifluoroacetic acid In 1,1,2-Trichloro-1,2,2-trifluoroethane at -25℃; for 1h; Criegee rearrangement;96%
59550-02-6

benzophenone diphenyl ketal

102-09-0

bis(phenyl) carbonate

Conditions
ConditionsYield
With trifluoroacetyl peroxide; trifluoroacetic acid In trichlorofluoromethane at -24℃; for 1h; Criegee rearrangement;96%
4223-31-8

N,N′-hexanediyl bis-carbamic acid diphenyl ester

A

102-09-0

bis(phenyl) carbonate

B

822-06-0

Hexamethylene diisocyanate

Conditions
ConditionsYield
at 150℃; under 11.2511 - 112.511 Torr;A n/a
B 95.3%
2001-45-8

tetraphenyl phosphonium chloride

102-09-0

bis(phenyl) carbonate

Conditions
ConditionsYield
With hydrogenchloride95.2%
With hydrogenchloride95.2%
With hydrogenchloride95.2%
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    Product Name: Diphenyl carbonate CAS: 102-09-0 MF: C13H10O3 MW: 214.22 EINECS: 203-005-8 Mol File: 102-09-0.mol Diphenyl carbonate Structure Diphenyl carbonate Chemical Properties Melting point 79-82 °C (lit.) Boiling poin

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Diphenyl carbonate, also known as Carbonic acid, diphenyl ester, is the organic compound with the formula C13H10O3. This chemical belongs to the product categories of Color Former & Related Compounds; Functional Materials; Sensitizer; Carbonates; Carbonyl Compounds; Organic Building Blocks. Its EINECS registry number is 203-005-8. With the CAS registry number 102-09-0, its IUPAC name is called Diphenyl carbonate. It is both as a monomer in combination with bisphenol A in the production of polycarbonate polymers and a product of the decomposition of polycarbonates.

Physical properties of Diphenyl carbonate: (1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.28; (4)ACD/BCF (pH 5.5): 183.15; (5)ACD/BCF (pH 7.4): 183.15; (6)ACD/KOC (pH 5.5): 1449.84; (7)ACD/KOC (pH 7.4): 1449.84; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.575; (11)Molar Refractivity: 59.21 cm3; (12)Molar Volume: 178.9 cm3; (13)Surface Tension: 44 dyne/cm; (14)Density: 1.197 g/cm3; (15)Flash Point: 119.4 °C; (16)Enthalpy of Vaporization: 54.43 kJ/mol; (17)Boiling Point: 304 °C at 760 mmHg; (18)Vapour Pressure: 0.000899 mmHg at 25°C.

Preparation: this chemical can be prepared by carbonic acid dimethyl ester and phenol. This reaction is a kind of transesterification. It will need catalyst TiO2/SiO2. The reaction pressure is 0.39 MPan with reaction temperature of 200~250 °C.

Diphenyl carbonate can be prepared by carbonic acid dimethyl ester and phenol

Uses of Diphenyl carbonate: it is mainly used as synthetic raw material for engineering plastic polycarbonate and gathering p-hydroxy benzoic acid ester. In addition, it can also be used as plasticizer and solvents of nitric acid cellulose.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. Meanwhile, is is harmful by inhalation. You should not breathe its dust. What's more, you must avoid contact it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2
(2)InChI: InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H
(3)InChIKey: ROORDVPLFPIABK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1500mg/kg (1500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD National Technical Information Service. Vol. OTS0540144,